Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ergotaman-3',6',18-trione, 12'-hydroxy-
RN: 34641-89-9
InChIKey: NWUAGUHQQZJTGN-REDCWIJSSA-N

Molecular Formula

  • C25-H27-N5-O5

Molecular Weight

  • 477.518
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 12'-Hydroxyergotaman-3',6',18-trione

Systematic Name

  • Ergotaman-3',6',18-trione, 12'-hydroxy-

Registry Numbers

CAS Registry Number

  • 34641-89-9

System Generated Number

  • 0034641899

Structure Descriptors

InChI

1S/C25H27N5O5/c1-28-11-14(8-16-15-4-2-5-17-21(15)13(10-26-17)9-18(16)28)22(32)27-23-24(33)30-12-20(31)29-7-3-6-19(29)25(30,34)35-23/h2,4-5,8,10,14,18-19,23,26,34H,3,6-7,9,11-12H2,1H3,(H,27,32)/t14-,18-,19+,23-,25+/m1/s1

InChIKey

NWUAGUHQQZJTGN-REDCWIJSSA-N

Smiles

c12c3c(C=4[C@H]([N@@](C)C[C@@H](C(N[C@H]5C(N6[C@@](O5)([C@H]5N(C(C6)=O)CCC5)O)=O)=O)C4)Cc3c[nH]1)ccc2